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Information card for entry 7027773
Preview
Coordinates | 7027773.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H32 Co O6 P S2 W |
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Calculated formula | C37 H32 Co O6 P S2 W |
SMILES | [W]1234567([Co]8([P](Sc9ccccc9)(c9ccccc9)c9ccccc9)([S]1c1ccccc1)(C#[O])[CH](C(OC)=[O]7)=[C]68C(=O)OC)([cH]1[cH]5[cH]4[cH]3[cH]21)C#[O] |
Title of publication | The formation and transformation of metallacycles containing phosphorus or sulfur on molybdenum‒ or tungsten‒cobalt mixed-metal backbones ‡ |
Authors of publication | King, Jason D.; Mays, Martin J.; Pateman, Giles E.; Raithby, Paul R.; Rennie, Moira A.; Solan, Gregory A.; Choi, Nick; Conole, Gráinne; McPartlin, Mary |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 24 |
Pages of publication | 4447 |
a | 9.555 ± 0.002 Å |
b | 10.419 ± 0.002 Å |
c | 19.358 ± 0.004 Å |
α | 76.22 ± 0.03° |
β | 76.57 ± 0.03° |
γ | 73.19 ± 0.03° |
Cell volume | 1763.8 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0824 |
Residual factor for significantly intense reflections | 0.0509 |
Weighted residual factors for all reflections | 0.1224 |
Weighted residual factors for significantly intense reflections | 0.1078 |
Goodness-of-fit parameter for all reflections | 1.027 |
Goodness-of-fit parameter for significantly intense reflections | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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structural data.